Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry

Materials databases currently neglect the temperature effect on compound thermodynamics. Here the authors introduce a Gibbs energy descriptor enabling the high-throughput prediction of temperature-dependent thermodynamics across a wide range of compositions and temperatures for inorganic solids.

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Autores principales:	Christopher J. Bartel, Samantha L. Millican, Ann M. Deml, John R. Rumptz, William Tumas, Alan W. Weimer, Stephan Lany, Vladan Stevanović, Charles B. Musgrave, Aaron M. Holder
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/a4f6f48441e84528b5fb49293d022637
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spelling	oai:doaj.org-article:a4f6f48441e84528b5fb49293d0226372021-12-02T15:34:20ZPhysical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry10.1038/s41467-018-06682-42041-1723https://doaj.org/article/a4f6f48441e84528b5fb49293d0226372018-10-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-06682-4https://doaj.org/toc/2041-1723Materials databases currently neglect the temperature effect on compound thermodynamics. Here the authors introduce a Gibbs energy descriptor enabling the high-throughput prediction of temperature-dependent thermodynamics across a wide range of compositions and temperatures for inorganic solids.Christopher J. BartelSamantha L. MillicanAnn M. DemlJohn R. RumptzWilliam TumasAlan W. WeimerStephan LanyVladan StevanovićCharles B. MusgraveAaron M. HolderNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-10 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Christopher J. Bartel Samantha L. Millican Ann M. Deml John R. Rumptz William Tumas Alan W. Weimer Stephan Lany Vladan Stevanović Charles B. Musgrave Aaron M. Holder Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
description	Materials databases currently neglect the temperature effect on compound thermodynamics. Here the authors introduce a Gibbs energy descriptor enabling the high-throughput prediction of temperature-dependent thermodynamics across a wide range of compositions and temperatures for inorganic solids.
format	article
author	Christopher J. Bartel Samantha L. Millican Ann M. Deml John R. Rumptz William Tumas Alan W. Weimer Stephan Lany Vladan Stevanović Charles B. Musgrave Aaron M. Holder
author_facet	Christopher J. Bartel Samantha L. Millican Ann M. Deml John R. Rumptz William Tumas Alan W. Weimer Stephan Lany Vladan Stevanović Charles B. Musgrave Aaron M. Holder
author_sort	Christopher J. Bartel
title	Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
title_short	Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
title_full	Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
title_fullStr	Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
title_full_unstemmed	Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
title_sort	physical descriptor for the gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/a4f6f48441e84528b5fb49293d022637
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Physical descriptor for the Gibbs energy of inorganic crystalline solids and temperature-dependent materials chemistry

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